⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9766062 | 0.90 | — | — | |
| SCHEMBL28274684 | 0.81 | HSD17B10 (0.32) | — | |
| SCHEMBL9766091 | 0.80 | HSD17B10 (0.33) | — | |
| SCHEMBL24258181 | 0.79 | IMPDH2 (0.33) | — | |
| SCHEMBL12089524 | 0.77 | HSD17B10 (0.34) | — | |
| SCHEMBL107339 | 0.76 | HSD17B10 (0.36) | — | |
| SCHEMBL16071629 | 0.76 | HSD17B10 (0.32) | — | |
| SCHEMBL117384 | 0.76 | — | — | |
| SCHEMBL20197841 | 0.74 | IMPDH2 (0.36) | — | |
| SCHEMBL9766009 | 0.74 | HSD17B10 (0.31) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266947-B1 | HALOGENATED ESTERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0266947-A2 | Halogenated esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-11 | — | — | EP | claimed |
| EP-0266947-B1 | HALOGENATED ESTERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-04 | — | — | EP | disclosed |
| EP-0266947-A2 | Halogenated esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-05-11 | — | — | EP | disclosed |